SCHEMBL784472

SCHEMBL784472

CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)c1cncnc1)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
WDR5 P61964 9/20 0.38
MCHR1 Q99705 1/20 0.37
F10 P00742 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
ROCK2 O75116 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
AURKA O14965 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL784342 1.00 CTSS (0.41) CTSSWDR5MCHR1F10HTR1A
SCHEMBL785199 0.95 CTSS (0.47) CTSSWDR5POLBALDH1A1TSHR
SCHEMBL784149 0.93 ROCK2 (0.38) CTSSMCHR1F10HTR1ADRD2
SCHEMBL785446 0.90 CTSS (0.52) CTSSMCHR1HTR1ADRD2HTR2A
SCHEMBL785215 0.90 CTSS (0.41) CTSSWDR5F10HTR1ADRD2
SCHEMBL785852 0.90 CTSS (0.40) CTSSWDR5F10HTR1ADRD2
SCHEMBL785100 0.90 KCNH2 (0.42) CTSSWDR5MCHR1F10HTR1A
SCHEMBL784684 0.89 CTSS (0.39) CTSSWDR5F10HTR1ADRD2
SCHEMBL786234 0.88 CCR5 (0.40) CTSSWDR5MCHR1F10DRD2
SCHEMBL785875 0.87 MCHR1 (0.39) CTSSWDR5MCHR1F10HTR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CTSS 824/4885WDR5 2611/4885MCHR1 363/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.